4-(5-methoxy-6-methyl-2-pyridinyl)bicyclo[2.2.2]octane-1-carbaldehyde

C16H21NO2 — CID 162781246

IUPAC4-(5-methoxy-6-methyl-2-pyridinyl)bicyclo[2.2.2]octane-1-carbaldehyde
SMILESCOc1ccc(C23CCC(C=O)(CC2)CC3)nc1C
InChIInChI=1S/C16H21NO2/c1-12-13(19-2)3-4-14(17-12)16-8-5-15(11-18,6-9-16)7-10-16/h3-4,11H,5-10H2,1-2H3
InChIKeyHDEYCCSMRYICAQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.19
Rot. Bonds3

About 4-(5-methoxy-6-methyl-2-pyridinyl)bicyclo[2.2.2]octane-1-carbaldehyde

4-(5-methoxy-6-methyl-2-pyridinyl)bicyclo[2.2.2]octane-1-carbaldehyde (PubChem CID 162781246) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-(5-methoxy-6-methyl-2-pyridinyl)bicyclo[2.2.2]octane-1-carbaldehyde.

Molecular Properties

Compound Name4-(5-methoxy-6-methyl-2-pyridinyl)bicyclo[2.2.2]octane-1-carbaldehyde
PubChem CID162781246
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name4-(5-methoxy-6-methyl-2-pyridinyl)bicyclo[2.2.2]octane-1-carbaldehyde
SMILESCOc1ccc(C23CCC(C=O)(CC2)CC3)nc1C
InChIInChI=1S/C16H21NO2/c1-12-13(19-2)3-4-14(17-12)16-8-5-15(11-18,6-9-16)7-10-16/h3-4,11H,5-10H2,1-2H3
InChIKeyHDEYCCSMRYICAQ-UHFFFAOYSA-N
XLogP3.19
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-6-methyl-2-pyridinyl)bicyclo[2.2.2]octane-1-carbaldehyde?
The IUPAC name of 4-(5-methoxy-6-methyl-2-pyridinyl)bicyclo[2.2.2]octane-1-carbaldehyde (CID 162781246) is 4-(5-methoxy-6-methyl-2-pyridinyl)bicyclo[2.2.2]octane-1-carbaldehyde.
What is the SMILES notation for 4-(5-methoxy-6-methyl-2-pyridinyl)bicyclo[2.2.2]octane-1-carbaldehyde?
The canonical SMILES for 4-(5-methoxy-6-methyl-2-pyridinyl)bicyclo[2.2.2]octane-1-carbaldehyde is COc1ccc(C23CCC(C=O)(CC2)CC3)nc1C.
What is the InChIKey of 4-(5-methoxy-6-methyl-2-pyridinyl)bicyclo[2.2.2]octane-1-carbaldehyde?
The InChIKey is HDEYCCSMRYICAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12-13(19-2)3-4-14(17-12)16-8-5-15(11-18,6-9-16)7-10-16/h3-4,11H,5-10H2,1-2H3.
What are the key properties of 4-(5-methoxy-6-methyl-2-pyridinyl)bicyclo[2.2.2]octane-1-carbaldehyde?
4-(5-methoxy-6-methyl-2-pyridinyl)bicyclo[2.2.2]octane-1-carbaldehyde has a molecular weight of 259.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-6-methyl-2-pyridinyl)bicyclo[2.2.2]octane-1-carbaldehyde is sourced from PubChem (CID 162781246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).